SCHEMBL1461004

SCHEMBL1461004

CNC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.56
ITK Q08881 1/20 0.56
MAP2K4 P45985 8/20 0.50
MAP2K7 O14733 3/20 0.50
NTRK3 Q16288 1/20 0.49
YTHDC1 Q96MU7 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4008915 0.92 NTRK1 (0.52) NTRK1ITKMAP2K4MAP2K7YTHDC1
SCHEMBL4008411 0.88 ITK (0.56) ITKMAP2K4MAP2K7LMNASMN1; SMN2
SCHEMBL1461034 0.88 MAPT (0.59) ITKMAP2K4MAP2K7LMNASMN1; SMN2
SCHEMBL1461696 0.87 MAP2K4 (0.56) NTRK1ITKMAP2K4MAP2K7LMNA
SCHEMBL1461070 0.83 ITK (0.60) ITKMAP2K4MAP2K7
SCHEMBL1460521 0.83 ITK (0.60) ITKMAP2K4MAP2K7LMNASMN1; SMN2
SCHEMBL1460678 0.82 ITK (0.64) ITKMAP2K4MAP2K7
SCHEMBL4014275 0.82 NTRK1 (0.48) NTRK1MAP2K4YTHDC1LMNA
SCHEMBL1460933 0.81 ITK (0.56) ITKMAP2K4MAP2K7LMNASMN1; SMN2
SCHEMBL4008270 0.80 MAPT (0.60) MAP2K4MAP2K7NTRK3LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4643910-B2 2011-03-02 JP claimed
JP-2005533004-A 2005-11-04 JP claimed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US claimed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP claimed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US claimed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 WO claimed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NTRK1 1342/4885ITK 222/4885MAP2K4 340/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NTRK1 1376/4885ITK 266/4885MAP2K4 328/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.